methyl 2-chloro-5-[[2-(2-fluoroanilino)-2-oxoethyl]amino]benzoate

C16H14ClFN2O3 — CID 37230186

IUPACmethyl 2-chloro-5-[[2-(2-fluoroanilino)-2-oxoethyl]amino]benzoate
SMILESCOC(=O)c1cc(NCC(=O)Nc2ccccc2F)ccc1Cl
InChIInChI=1S/C16H14ClFN2O3/c1-23-16(22)11-8-10(6-7-12(11)17)19-9-15(21)20-14-5-3-2-4-13(14)18/h2-8,19H,9H2,1H3,(H,20,21)
InChIKeyLTWYIQCGKUHQPG-UHFFFAOYSA-N
MW336.75 g/mol
LogP3.32
Rot. Bonds5

About methyl 2-chloro-5-[[2-(2-fluoroanilino)-2-oxoethyl]amino]benzoate

methyl 2-chloro-5-[[2-(2-fluoroanilino)-2-oxoethyl]amino]benzoate (PubChem CID 37230186) has the molecular formula C16H14ClFN2O3 and a molecular weight of 336.75 g/mol. Its IUPAC name is methyl 2-chloro-5-[[2-(2-fluoroanilino)-2-oxoethyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 2-chloro-5-[[2-(2-fluoroanilino)-2-oxoethyl]amino]benzoate
PubChem CID37230186
Molecular FormulaC16H14ClFN2O3
Molecular Weight336.75 g/mol
Exact Mass336.07
IUPAC Namemethyl 2-chloro-5-[[2-(2-fluoroanilino)-2-oxoethyl]amino]benzoate
SMILESCOC(=O)c1cc(NCC(=O)Nc2ccccc2F)ccc1Cl
InChIInChI=1S/C16H14ClFN2O3/c1-23-16(22)11-8-10(6-7-12(11)17)19-9-15(21)20-14-5-3-2-4-13(14)18/h2-8,19H,9H2,1H3,(H,20,21)
InChIKeyLTWYIQCGKUHQPG-UHFFFAOYSA-N
XLogP3.32
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.75
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[[2-[4-chloro-3-(trifluoromethyl)anilino]acetyl]amino]benzoate
CID 9101546
methyl 2-[[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]amino]benzoate
CID 37471922
2-[3-chloro-4-(difluoromethoxy)anilino]-N-(2-fluorophenyl)acetamide
CID 9103338
methyl 2-[[2-[3-chloro-4-(difluoromethoxy)anilino]acetyl]amino]benzoate
CID 9103322
methyl 2-[[2-(2,5-dichloroanilino)-2-oxoethyl]amino]benzoate
CID 55434529
2-(3-ethylanilino)-N-(2-fluorophenyl)acetamide
CID 28584361
N-(3,4-dichlorophenyl)-2-(2-fluoroanilino)acetamide
CID 9099109
N-(2-fluorophenyl)-2-(3,4,5-trimethoxyanilino)acetamide
CID 109008378
methyl 2-[[2-(3,4-difluoroanilino)-2-oxoethyl]amino]benzoate
CID 37471968
methyl 2-[[2-(2,5-difluoroanilino)-2-oxoethyl]amino]benzoate
CID 37472105
methyl 2-[[2-(2,4-dichloroanilino)-2-oxoethyl]amino]benzoate
CID 37472030
2-(3-chloro-2-methylanilino)-N-(2-fluorophenyl)acetamide
CID 9099260

Frequently Asked Questions

What is the IUPAC name of methyl 2-chloro-5-[[2-(2-fluoroanilino)-2-oxoethyl]amino]benzoate?
The IUPAC name of methyl 2-chloro-5-[[2-(2-fluoroanilino)-2-oxoethyl]amino]benzoate (CID 37230186) is methyl 2-chloro-5-[[2-(2-fluoroanilino)-2-oxoethyl]amino]benzoate.
What is the SMILES notation for methyl 2-chloro-5-[[2-(2-fluoroanilino)-2-oxoethyl]amino]benzoate?
The canonical SMILES for methyl 2-chloro-5-[[2-(2-fluoroanilino)-2-oxoethyl]amino]benzoate is COC(=O)c1cc(NCC(=O)Nc2ccccc2F)ccc1Cl.
What is the InChIKey of methyl 2-chloro-5-[[2-(2-fluoroanilino)-2-oxoethyl]amino]benzoate?
The InChIKey is LTWYIQCGKUHQPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClFN2O3/c1-23-16(22)11-8-10(6-7-12(11)17)19-9-15(21)20-14-5-3-2-4-13(14)18/h2-8,19H,9H2,1H3,(H,20,21).
What are the key properties of methyl 2-chloro-5-[[2-(2-fluoroanilino)-2-oxoethyl]amino]benzoate?
methyl 2-chloro-5-[[2-(2-fluoroanilino)-2-oxoethyl]amino]benzoate has a molecular weight of 336.75 g/mol, XLogP of 3.32, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-chloro-5-[[2-(2-fluoroanilino)-2-oxoethyl]amino]benzoate is sourced from PubChem (CID 37230186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).